1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine

C18H30BrNO — CID 116760397

IUPAC1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)C(CC)(CC)OCC
InChIInChI=1S/C18H30BrNO/c1-5-13-20-17(18(6-2,7-3)21-8-4)14-15-9-11-16(19)12-10-15/h9-12,17,20H,5-8,13-14H2,1-4H3
InChIKeyFEGCMHVYFVCVDL-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.96
Rot. Bonds10

About 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine

1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine (PubChem CID 116760397) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
PubChem CID116760397
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)C(CC)(CC)OCC
InChIInChI=1S/C18H30BrNO/c1-5-13-20-17(18(6-2,7-3)21-8-4)14-15-9-11-16(19)12-10-15/h9-12,17,20H,5-8,13-14H2,1-4H3
InChIKeyFEGCMHVYFVCVDL-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine (CID 116760397) is 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(Br)cc1)C(CC)(CC)OCC.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine?
The InChIKey is FEGCMHVYFVCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-5-13-20-17(18(6-2,7-3)21-8-4)14-15-9-11-16(19)12-10-15/h9-12,17,20H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine?
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 116760397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).